ethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium

C13H23NO2SY-2 — CID 169259890

IUPACethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium
SMILESCC.[CH2-]CCN([CH-]C)S(=O)(=O)C1=CCCC=C1.[Y]
InChIInChI=1S/C11H17NO2S.C2H6.Y/c1-3-10-12(4-2)15(13,14)11-8-6-5-7-9-11;1-2;/h4,6,8-9H,1,3,5,7,10H2,2H3;1-2H3;/q-2;;
InChIKeyINOTVTOHWBGNTP-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.28
Rot. Bonds5

About ethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium

ethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium (PubChem CID 169259890) has the molecular formula C13H23NO2SY-2 and a molecular weight of 346.31 g/mol. Its IUPAC name is ethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium.

Molecular Properties

Compound Nameethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium
PubChem CID169259890
Molecular FormulaC13H23NO2SY-2
Molecular Weight346.31 g/mol
Exact Mass346.05
IUPAC Nameethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium
SMILESCC.[CH2-]CCN([CH-]C)S(=O)(=O)C1=CCCC=C1.[Y]
InChIInChI=1S/C11H17NO2S.C2H6.Y/c1-3-10-12(4-2)15(13,14)11-8-6-5-7-9-11;1-2;/h4,6,8-9H,1,3,5,7,10H2,2H3;1-2H3;/q-2;;
InChIKeyINOTVTOHWBGNTP-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(4-Fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
CID 166062852
N-but-3-enyl-N-butylcyclohexa-1,3-diene-1-sulfonamide
CID 68213066
1-Cyclohexa-1,3-dien-1-ylsulfonyl-4-methylpiperidine
CID 91085982
1-(1-Methylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
CID 141194739
1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-3,6-dihydro-2H-pyridine
CID 141311194
N-ethyl-N-methylcyclohexa-1,5-diene-1-sulfonamide
CID 144514724
1-Cyclohexa-1,3-dien-1-ylsulfonyl-4-propylpiperazine
CID 147878966
1-(1,4-Dimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
CID 153535127
1-(1,5-Dimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
CID 153535128
1-Cyclohexa-1,5-dien-1-ylsulfonylpiperidine
CID 173085579
1-Cyclohexa-1,5-dien-1-ylsulfonyl-4-methylpiperazine
CID 173163998
1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]sulfonylpiperidine
CID 141900812

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium?
The IUPAC name of ethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium (CID 169259890) is ethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium.
What is the SMILES notation for ethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium?
The canonical SMILES for ethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium is CC.[CH2-]CCN([CH-]C)S(=O)(=O)C1=CCCC=C1.[Y].
What is the InChIKey of ethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium?
The InChIKey is INOTVTOHWBGNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S.C2H6.Y/c1-3-10-12(4-2)15(13,14)11-8-6-5-7-9-11;1-2;/h4,6,8-9H,1,3,5,7,10H2,2H3;1-2H3;/q-2;;.
What are the key properties of ethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium?
ethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium has a molecular weight of 346.31 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-propylcyclohexa-1,5-diene-1-sulfonamide;yttrium is sourced from PubChem (CID 169259890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).